4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide

C25H34ClN3O2 — CID 91209965

IUPAC4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cn(CC2CCCCC2)c(C)c1C(=O)NN1CCCCC1
InChIInChI=1S/C25H34ClN3O2/c1-18-24(25(30)27-29-13-7-4-8-14-29)22(21-15-20(26)11-12-23(21)31-2)17-28(18)16-19-9-5-3-6-10-19/h11-12,15,17,19H,3-10,13-14,16H2,1-2H3,(H,27,30)
InChIKeyWWPCFKCKELHCMW-UHFFFAOYSA-N
MW444.02 g/mol
LogP5.84
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide

4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide (PubChem CID 91209965) has the molecular formula C25H34ClN3O2 and a molecular weight of 444.02 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
PubChem CID91209965
Molecular FormulaC25H34ClN3O2
Molecular Weight444.02 g/mol
Exact Mass443.23
IUPAC Name4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cn(CC2CCCCC2)c(C)c1C(=O)NN1CCCCC1
InChIInChI=1S/C25H34ClN3O2/c1-18-24(25(30)27-29-13-7-4-8-14-29)22(21-15-20(26)11-12-23(21)31-2)17-28(18)16-19-9-5-3-6-10-19/h11-12,15,17,19H,3-10,13-14,16H2,1-2H3,(H,27,30)
InChIKeyWWPCFKCKELHCMW-UHFFFAOYSA-N
XLogP5.84
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.02
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 58999128
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide
CID 58999148
N-(5-chloro-2-methoxyphenyl)-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 60563453
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid
CID 17365802
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 90036440
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate
CID 19296203
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide (CID 91209965) is 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide is COc1ccc(Cl)cc1-c1cn(CC2CCCCC2)c(C)c1C(=O)NN1CCCCC1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide?
The InChIKey is WWPCFKCKELHCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O2/c1-18-24(25(30)27-29-13-7-4-8-14-29)22(21-15-20(26)11-12-23(21)31-2)17-28(18)16-19-9-5-3-6-10-19/h11-12,15,17,19H,3-10,13-14,16H2,1-2H3,(H,27,30).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide?
4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide has a molecular weight of 444.02 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide is sourced from PubChem (CID 91209965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).